9,10-Anthracenedione, 1-amino-4-(phenylthio)-

Base Information

Chemical Name:9,10-Anthracenedione, 1-amino-4-(phenylthio)-
CAS No.:13483-52-8
Molecular Formula:C20H13NO2S
Molecular Weight:331.395
Hs Code.:
European Community (EC) Number:236-792-1
UNII:UWM4332F9C
DSSTox Substance ID:DTXSID6065507
Nikkaji Number:J241.136I
Wikidata:Q81992245
Mol file:13483-52-8.mol

Synonyms:13483-52-8;1-Amino-4-(phenylthio)anthraquinone;9,10-Anthracenedione, 1-amino-4-(phenylthio)-;EINECS 236-792-1;UWM4332F9C;1-amino-4-phenylsulfanylanthracene-9,10-dione;1-Amino-4-(phenylthio)-9,10-anthracenedione;UNII-UWM4332F9C;SCHEMBL9846550;DTXSID6065507;1-amino-4-phenylmercaptoanthraquinone;A18173

Suppliers and Price of 9,10-Anthracenedione, 1-amino-4-(phenylthio)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 9,10-Anthracenedione, 1-amino-4-(phenylthio)-

Chemical Property:

Vapor Pressure:8.95E-14mmHg at 25°C
Melting Point:201 °C
Refractive Index:1.75
Boiling Point:587.3 °C at 760 mmHg
PKA:-0.94±0.20(Predicted)
Flash Point:309 °C
PSA：85.46000
Density:1.41 g/cm³
LogP:4.77660
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:331.06669983
Heavy Atom Count:24
Complexity:502

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)SC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O

Technology Process of 9,10-Anthracenedione, 1-amino-4-(phenylthio)-

There total 7 articles about 9,10-Anthracenedione, 1-amino-4-(phenylthio)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 42.0%

: 81-62-9
1-amino-4-bromo-9,10-anthracenedione

: 108-98-5
thiophenol

: 13483-52-8
1-amino-4-phenylthio-9,10-anthraquinone

Guidance literature:: With copper(II) oxide; potassium hydroxide; In water; dimethyl sulfoxide; at 90 ℃; for 12h;

Reference yield:

: 5-Phenylsulfanyl-anthra[1,9-cd]isoxazol-6-one

: 13483-52-8
1-amino-4-phenylthio-9,10-anthraquinone

Guidance literature:: With hydrogen; palladium on activated charcoal; In 1,4-dioxane; at 50 ℃; for 3h; under 760 Torr;
DOI:10.1007/BF00531553

Reference yield:

: 70730-92-6
5-chloro-6H-anthra[1,9-cd]isoxazol-6-one

: 13483-52-8
1-amino-4-phenylthio-9,10-anthraquinone

Guidance literature:: Multi-step reaction with 2 steps

1: 84 percent / potassium carbonate / dioxane / 8 h / 20 - 25 °C

2: hydrogen / Pd/C / dioxane / 3 h / 50 °C / 760 Torr

With hydrogen; potassium carbonate; palladium on activated charcoal; In 1,4-dioxane;
DOI:10.1007/BF00531553